Rate coefficients and product branching ratios for (E)-2-butenal + H reactions
Author:
Affiliation:
1. Departamento de Físico-Química
2. Instituto de Química – Universidade Federal da Bahia
3. Rua Barão de Jeremoabo
4. 40170-115
5. Brazil
Abstract
Thermal rate constants for the hydrogen abstraction reactions of (E)-2-butenal by hydrogen atoms were calculated, for the first time, using the multipath canonical variational theory with small-curvature tunneling (MP-CVT/SCT).
Funder
Conselho Nacional de Desenvolvimento Científico e Tecnológico
Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP02142C
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